N-[3-(4-azanyl-3-nitro-phenyl)-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]-3,5-ditert-butyl-4-oxidanyl-benzenesulfonamide

Systemtic Name: N-[3-(4-azanyl-3-nitro-phenyl)-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]-3,5-ditert-butyl-4-oxidanyl-benzenesulfonamide Openeye Name: N-[1-[(4-amino-3-nitro-phenyl)methyl]-2-(4-methyl-1-piperidyl)-2-oxo-ethyl]-3,5-ditert-butyl-4-hydroxy-benzenesulfonamide CAS Name: N-[3-(4-amino-3-nitrophenyl)-1-(4-methyl-1-piperidinyl)-1-oxopropan-2-yl]-3,5-ditert-butyl-4-hydroxybenzenesulfonamide IUPAC Name: N-[3-(4-amino-3-nitrophenyl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-3,5-ditert-butyl-4-hydroxybenzenesulfonamide Traditional Name: N-[1-(4-amino-3-nitro-benzyl)-2-keto-2-(4-methylpiperidino)ethyl]-3,5-ditert-butyl-4-hydroxy-benzenesulfonamide Formula: C29H42N4O6S MolecularWeight: 574.73198

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(CC2=CC(=C(C=C2)N)[N+](=O)[O-])NS(=O)(=O)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CC1CCN(CC1)C(=O)C(CC2=CC(=C(C=C2)N)[N+](=O)[O-])NS(=O)(=O)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C29H42N4O6S/c1-18-10-12-32(13-11-18)27(35)24(14-19-8-9-23(30)25(15-19)33(36)37)31-40(38,39)20-16-21(28(2,3)4)26(34)22(17-20)29(5,6)7/h8-9,15-18,24,31,34H,10-14,30H2,1-7H3